SCHEMBL694769

SCHEMBL694769

Fc1cccc(-c2[c]c3ccccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TDO2 P48775 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
ESR2 Q92731 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HPGDS O60760 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL695275 0.81 KDM4E (0.42) MGAMGAASIMGAM2MAPK13
SCHEMBL1972818 0.80 NPC1 (0.41) LMNAHPGDGAAALDH1A1ESR2
SCHEMBL11785225 0.75 ALDH1A1 (0.38) LMNAHPGDGAAALDH1A1IDO1
SCHEMBL7999620 0.72 BRD4 (0.37) LMNAHPGDGAAALDH1A1TNKS2
SCHEMBL5067720 0.70 ALDH1A1 (0.40) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4600217 0.70 KDM4E (0.47) HPGDTDO2MGAMGAASI
SCHEMBL1492649 0.70 CYP19A1 (0.51) LMNAHPGDTDO2ALDH1A1IDO1
SCHEMBL8697262 0.70 NPC1 (0.42) LMNAHPGDALDH1A1HPGDSMEN1
SCHEMBL29804758 0.69 NPC1 (0.67) LMNAHPGDALDH1A1MEN1THRB
SCHEMBL27800723 0.69 NPC1 (0.67) LMNAHPGDALDH1A1MEN1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed